t-Butyl 3-{[(methylsulfanyl)carbothioyl]amino}propylcarbamate | 386281-29-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: t-Butyl 3-{[(methylsulfanyl)carbothioyl]amino}propylcarbamate
• 英文别名: tert-butyl N-[3-(methylsulfanylcarbothioylamino)propyl]carbamate
• CAS: 386281-29-4
• 化学式: C₁₀H₂₀N₂O₂S₂
• 分子量: 264.413
• InChiKey: DUZNFBZGQMXLPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  t-Butyl 3-{[(methylsulfanyl)carbothioyl]amino}propylcarbamate 在 一水合肼 作用下， 以 乙二醇甲醚 为溶剂， 生成 tert-butyl (3-(hydrazinecarbothioamido)propyl)carbamate
  参考文献：
  名称：

  Synthesis and SAR of novel conformationally restricted oxazolidinones possessing Gram-positive and fastidious Gram-negative antibacterial activity. Part 2: Amino substitutions on heterocyclic D-ring system

  摘要：

  A novel series of conformationally restricted oxazolidinones was synthesized, in which the heterocyclic D ring was substituted with various amino groups. Several analogs exhibited potent activity against both Gram-positive and fastidious Gram-negative organisms. Certain aniino-substituted analogs also exhibited improved aqueous solubility compared to the corresponding un-substituted heterocyclic D-ring analogs.(c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.085
• 作为产物：
  描述：

  二硫化碳 、 N-叔丁氧羰基-1,3-丙二胺 、 碘甲烷 在 三乙胺 作用下， 以 甲醇 、 乙醚 为溶剂， 生成 t-Butyl 3-{[(methylsulfanyl)carbothioyl]amino}propylcarbamate
  参考文献：
  名称：

  Synthesis and SAR of novel conformationally restricted oxazolidinones possessing Gram-positive and fastidious Gram-negative antibacterial activity. Part 2: Amino substitutions on heterocyclic D-ring system

  摘要：

  A novel series of conformationally restricted oxazolidinones was synthesized, in which the heterocyclic D ring was substituted with various amino groups. Several analogs exhibited potent activity against both Gram-positive and fastidious Gram-negative organisms. Certain aniino-substituted analogs also exhibited improved aqueous solubility compared to the corresponding un-substituted heterocyclic D-ring analogs.(c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.085

文献信息

• Five-membered-ring compound
  申请人：——

  公开号：US20040072827A1

  公开（公告）日：2004-04-15

  A 5-membered cyclic compound of the formula: 1 wherein X is oxygen or sulfur, R 1 is hydrogen, substituted or unsubstituted alkyl, etc., R 2 is hydrogen, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, etc., Y 1 is a direct bond, substituted or unsubstituted alkylene, —CO(CH 2 ) n —, etc., the wavy line means (E)-configuration or (Z)-configuration, R 3 is substituted or unsubstituted aryl, etc., Y 2 is substituted or unsubstituted alkylene, etc., R 4 is hydrogen, substituted or unsubstituted alkanoyl, substituted or unsubstituted alkyl, etc., R 5 is hydrogen, etc., or a salt thereof, these compound being able to inhibit infiltration of leukocytes such as eosinophils and lymphocytes, by which being useful for the treatment of various kinds of inflammation.

  公式为1的五元环化合物，其中X是氧或硫，R1是氢，取代或未取代的烷基等，R2是氢，取代或未取代的烷基，取代或未取代的芳基等，Y1是直接键，取代或未取代的烷基，-CO(CH2)n-等，波浪线表示（E）构型或（Z）构型，R3是取代或未取代的芳基等，Y2是取代或未取代的烷基等，R4是氢，取代或未取代的脂肪酰基，取代或未取代的烷基等，R5是氢等，或其盐，这些化合物能够抑制白细胞浸润，如嗜酸性粒细胞和淋巴细胞，从而有助于治疗各种炎症。
• Five-membered cyclic compounds
  申请人：Fujiwara Norio

  公开号：US20050222226A1

  公开（公告）日：2005-10-06

  A 5-membered cyclic compound of the formula: wherein X is oxygen or sulfur, R 1 is hydrogen, substituted or unsubstituted alkyl, etc., R 2 is hydrogen, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, etc., Y 1 is a direct bond, substituted or unsubstituted alkylene, —CO(CH 2 ) n —, etc., the wavy line means (E)-configuration or (Z)-configuration, R 3 is substituted or unsubstituted aryl, etc., Y 2 is substituted or unsubstituted alkylene, etc., R 4 is hydrogen, substituted or unsubstituted alkanoyl, substituted or unsubstituted alkyl, etc., R 5 is hydrogen, etc., or a salt thereof, these compound being able to inhibit infiltration of leukocytes such as eosinophils and lymphocytes, by which being useful for the treatment of various kinds of inflammation.

  一种公式为的五元环化合物：其中X为氧或硫，R1为氢，取代或未取代的烷基等，R2为氢，取代或未取代的烷基，取代或未取代的芳基等，Y1为直接键，取代或未取代的烷基，-CO（CH2）n-等，波浪线表示（E）构型或（Z）构型，R3为取代或未取代的芳基等，Y2为取代或未取代的烷基等，R4为氢，取代或未取代的脂肪酰基，取代或未取代的烷基等，R5为氢等，或其盐，这些化合物能够抑制白细胞浸润，如嗜酸性粒细胞和淋巴细胞，因此对于治疗各种炎症是有用的。
• FIVE-MEMBERED-RING COMPOUND
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：EP1300401A1

  公开（公告）日：2003-04-09

  A 5-membered cyclic compound of the formula: wherein X is oxygen or sulfur, R1 is hydrogen, substituted or unsubstituted alkyl, etc., R2 is hydrogen, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, etc., Y1 is a direct bond, substituted or unsubstituted alkylene, -CO(CH2)n-, etc., the wavy line means (E)-configuration or (Z)-configuration, R3 is substituted or unsubstituted aryl, etc., Y2 is substituted or unsubstituted alkylene, etc., R4 is hydrogen, substituted or unsubstituted alkanoyl, substituted or unsubstituted alkyl, etc., R5 is hydrogen, etc., or a salt thereof, these compound being able to inhibit infiltration of leukocytes such as eosinophils and lymphocytes, by which being useful for the treatment of various kinds of inflammation.

  式中的五元环状化合物： 其中X为氧或硫，R1为氢、取代或未取代的烷基等，R2为氢、取代或未取代的烷基、取代或未取代的芳基等，Y1为直接键、取代或未取代的亚烷基、-CO(CH2)n-等，波浪线表示(E)-构型或(Z)-构型，R3为取代或未取代的芳基等、Y2 是取代或未取代的亚烷基等，R4 是氢、取代或未取代的烷酰基、取代或未取代的烷基等，R5 是氢等，或它们的盐，这些化合物能够抑制嗜酸性粒细胞和淋巴细胞等白细胞的浸润，可用于治疗各种炎症。
• 2-imino-thiazolidine and -oxazolidine derivatives for use as antiinflammatory agents
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1669070A2

  公开（公告）日：2006-06-14

  A 5-membered cyclic compound of the formula: wherein X is oxygen or sulfur,R1 is hydrogen, substituted or unsubstituted alkyl, etc., R2 is hydrogen, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, etc., Y1 is a direct bond, substituted or unsubstituted alkylene, -CO(CH2)n-, etc., the wavy line means (E)-configuration or (Z)-configuration, R3 is substituted or unsubstituted aryl, etc., Y2 is substituted or unsubstituted alkylene, etc., R4 is hydrogen, substituted or unsubstituted alkanoyl, substituted or unsubstituted alkyl, etc., R5 is hydrogen, etc., or a salt thereof, these compound being able to inhibit infiltration of leukocytes such as eosinophils and lymphocytes, by which being useful for the treatment of various kinds of inflammation.

  式中的 5 元环状化合物： 其中X为氧或硫，R1为氢、取代或未取代的烷基等，R2为氢、取代或未取代的烷基、取代或未取代的芳基等，Y1为直接键、取代或未取代的亚烷基、-CO(CH2)n-等，波浪线表示(E)-构型或(Z)-构型，R3为取代或未取代的芳基等、Y2 是取代或未取代的亚烷基等，R4 是氢、取代或未取代的烷酰基、取代或未取代的烷基等，R5 是氢等，或它们的盐，这些化合物能够抑制嗜酸性粒细胞和淋巴细胞等白细胞的浸润，可用于治疗各种炎症。
• THIAZOLE DERIVATIVES FOR USE AS ANTIINFLAMMATORIES
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1300401B1

  公开（公告）日：2009-12-09